Geometry & MOs

Info

ID:	393432
PubChem CID:	135020565
Reduced:	N2O6H16C19 (1)
Stoich.:	A2B6C16D19 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-187.54
Dipole, Da:	5.99
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(benzotriazol-1-ylmethyl)-2,4-dimethoxy-3-propan-2-ylphenol

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=CC(=C1C2=NC(=O)C3=CC=CC=C3N2)OC(=O)C)OC

DOS

IR

Vibrations